1-butyl-2-oxo-N-(2-pyridin-4-ylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

C23H31N3O2 — CID 23587711

IUPAC1-butyl-2-oxo-N-(2-pyridin-4-ylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCCCCn1c2c(cc(C(=O)NCCc3ccncc3)c1=O)CCCCCC2
InChIInChI=1S/C23H31N3O2/c1-2-3-16-26-21-9-7-5-4-6-8-19(21)17-20(23(26)28)22(27)25-15-12-18-10-13-24-14-11-18/h10-11,13-14,17H,2-9,12,15-16H2,1H3,(H,25,27)
InChIKeyCDGRANIUWWHWRH-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.67
Rot. Bonds7

About 1-butyl-2-oxo-N-(2-pyridin-4-ylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

1-butyl-2-oxo-N-(2-pyridin-4-ylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 23587711) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-butyl-2-oxo-N-(2-pyridin-4-ylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-2-oxo-N-(2-pyridin-4-ylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID23587711
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name1-butyl-2-oxo-N-(2-pyridin-4-ylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCCCCn1c2c(cc(C(=O)NCCc3ccncc3)c1=O)CCCCCC2
InChIInChI=1S/C23H31N3O2/c1-2-3-16-26-21-9-7-5-4-6-8-19(21)17-20(23(26)28)22(27)25-15-12-18-10-13-24-14-11-18/h10-11,13-14,17H,2-9,12,15-16H2,1H3,(H,25,27)
InChIKeyCDGRANIUWWHWRH-UHFFFAOYSA-N
XLogP3.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-butyl-2-oxo-N-(2-pyridin-4-ylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide with MolForge

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Related Compounds

1-butyl-2-oxo-N-(pyridin-4-ylmethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587719
1-butyl-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 23587792
1-butyl-2-oxo-N-(pyridin-3-ylmethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587717
1-butyl-N-[(4-methylphenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587722
1-butyl-N-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587747
1-butyl-N-[(4-methoxyphenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587757
1-methyl-2-oxo-N-(2-phenylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 142275684
1-[(1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 70696000
1-(butylamino)-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 142275755
1-butyl-N-(1-hydroxy-3-phenylpropan-2-yl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 77306566
1-butyl-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 67523007
(2S)-2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-3-methylbutanoic acid
CID 69475515

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-oxo-N-(2-pyridin-4-ylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of 1-butyl-2-oxo-N-(2-pyridin-4-ylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 23587711) is 1-butyl-2-oxo-N-(2-pyridin-4-ylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.
What is the SMILES notation for 1-butyl-2-oxo-N-(2-pyridin-4-ylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for 1-butyl-2-oxo-N-(2-pyridin-4-ylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is CCCCn1c2c(cc(C(=O)NCCc3ccncc3)c1=O)CCCCCC2.
What is the InChIKey of 1-butyl-2-oxo-N-(2-pyridin-4-ylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is CDGRANIUWWHWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-2-3-16-26-21-9-7-5-4-6-8-19(21)17-20(23(26)28)22(27)25-15-12-18-10-13-24-14-11-18/h10-11,13-14,17H,2-9,12,15-16H2,1H3,(H,25,27).
What are the key properties of 1-butyl-2-oxo-N-(2-pyridin-4-ylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
1-butyl-2-oxo-N-(2-pyridin-4-ylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-oxo-N-(2-pyridin-4-ylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 23587711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).